Package: wnpp
Owner: Andrius Merkys <[email protected]>
Severity: wishlist
* Package name : sirius
Version : 6.4.2
Upstream Author : Anton Kozhevnikov, Thomas Schulthess
* URL : https://github.com/electronic-structure/SIRIUS
* License : BSD-2-Clause
Programming Lang: C++
Description : domain specific library for electronic structure
calculations
SIRIUS is a domain specific library for electronic structure
calculations. It implements plane wave pseudopotential (PW-PP) and full
potential linearized augmented plane wave (FP-LAPW) methods and designed
to work with popular community codes such as Exciting, Elk and Quantum
ESPRESSO. SIRIUS is written in C++11 with MPI, OpenMP and CUDA
programming models.
Remark: This package is to be maintained with Debichem Team at
https://salsa.debian.org/debichem-team/sirius
